SCHEMBL1890797

SCHEMBL1890797

O=C(Nc1ccc(F)cc1F)Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
NPSR1 Q6W5P4 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
P2RY1 P47900 1/20 0.54
POLB P06746 2/20 0.54
EGFR P00533 1/20 0.54
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
GAA P10253 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3986269 0.88 NPC1 (0.63) RAB9ANPC1NPSR1SMN1; SMN2HTT
SCHEMBL26697273 0.86 NPC1 (0.61) RAB9ANPC1NPSR1SMN1; SMN2HTT
SCHEMBL21319206 0.85 RAB9A (0.60) RAB9ANPC1NPSR1SMN1; SMN2POLB
SCHEMBL29563219 0.85 NPC1 (0.61) RAB9ANPC1NPSR1SMN1; SMN2HTT
SCHEMBL24382006 0.85 NPC1 (0.61) RAB9ANPC1NPSR1SMN1; SMN2HTT
SCHEMBL23539851 0.85 KMT2A (0.54) RAB9ANPC1NPSR1POLBKMT2A
SCHEMBL22279199 0.84 NPC1 (0.62) RAB9ANPC1NPSR1SMN1; SMN2HTT
SCHEMBL5338241 0.84 RAB9A (0.58) RAB9ANPC1NPSR1SMN1; SMN2HTT
SCHEMBL10356846 0.83 RAB9A (0.81) RAB9ANPC1NPSR1SMN1; SMN2KMT2A
SCHEMBL5345691 0.82 KMT2A (0.60) RAB9ANPC1NPSR1SMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed
US-5003106-A Antiatherosclerotic ureas and thioureas AMERICAN CYANAMID COMPANY (US) 1991-03-26 US disclosed
EP-0144853-B1 SEMICARBAZIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-26 EP disclosed
US-4725608-A ANTIINFLAMMATORY, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
US-4623662-A ANTICHOLESTEROL, ANTILIPEMIC AMERICAN CYANAMID COMPANY (US) 1986-11-18 US disclosed
EP-0144853-A2 Semicarbazide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed
US-4396621-A ANALGESICS, ANTIIMFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1983-08-02 US disclosed
US-4320138-A ANTIINFLAMMATORY AGENTS FOR ARTHRITIS, GOUT CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4260779-A ANALGESICS, ANTIINFLAMMATORY, DIURETICS CIBA-GEIGY CORPORATION (US) 1981-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 RAB9A 2404/4885NPC1 910/4885NPSR1 2897/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 RAB9A 2592/4885NPC1 798/4885NPSR1 2659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.